methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-yl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-morpholino-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(4-morpholinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-morpholin-4-ylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-morpholino-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N3CCOCC3

InChI

InChI=1S/C20H30N2O6S/c1-3-4-11-28-17-5-7-18(8-6-17)29(24,25)22-15-16(14-19(22)20(23)26-2)21-9-12-27-13-10-21/h5-8,16,19H,3-4,9-15H2,1-2H3/t16-,19+/m0/s1